Parasympatholytics [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,


NAME CAS FORMULA MWTerraQSAR - LOGP
bethanechol 674-38-4 C7H17ClN2O2 196.68
1.01
methacholine chloride 62-51-1 C8H18ClNO2 195.69
-2.10
tizanidine 51322-75-9 C9H8ClN5S 253.71
2.70
flopropione 2295-58-1 C9H10O4 182.17
2.58
aceclidine 827-61-2 C9H15NO2 169.22
2.48
isometheptene 503-01-5 C9H19N 141.26
2.67
ecothiopate iodide 513-10-0 C9H23INO3PS 383.23
-0.32
feprosidnine 22293-47-6 C11H13N3O 203.24
1.89
L-689,660 144860-79-7 C11H14ClN3 223.71
1.19
L-687,306 139346-23-9 C11H15N3O 205.26
1.65
isbufylline 90162-60-0 C11H16N4O2 236.27
-0.10
levisoprenaline 51-31-0 C11H17NO3 211.26
1.24
meladrazine 13957-36-3 C11H23N7 253.35
-0.83
alrestatin 51411-04-2 C14H9NO4 255.23
1.83
phetharbital 357-67-5 C14H16N2O3 260.29
1.36
xanomeline 131986-45-3 C14H23N3OS 281.42
1.92
tazomeline 131987-54-7 C14H23N3S2 297.49
3.17
nolinium bromide 40759-33-9 C15H11BrCl2N2 370.08
0.59
zetidoline 51940-78-4 C16H22ClN3O 307.82
2.98
trepibutone 41826-92-0 C16H22O6 310.35
1.54
demelverine 13977-33-8 C17H21N 239.36
3.63
tofenacin 15301-93-6 C17H21NO 255.36
3.66
timepidium bromide 35035-05-3 C17H22BrNOS2 400.41
3.21
cyclopentolate 512-15-2 C17H25NO3 291.39
2.06
heteronium bromide 7247-57-6 C18H22BrNO3S 412.35
0.97
chlorphenoxamine 77-38-3 C18H22ClNO 303.83
3.71
diethazine 60-91-3 C18H22N2S 298.45
4.69
tiemonium iodide 144-12-7 C18H24INO2S 445.36
-0.76
atromepine 428-07-9 C18H25NO3 303.40
1.81
chloracyzine 800-22-6 C19H21ClN2OS 360.91
4.72
telenzepine 80880-90-6 C19H22N4O2S 370.47
2.84
cinnamedrine 90-86-8 C19H23NO 281.40
4.22
tiquizium bromide 71731-58-3 C19H24BrNS2 410.44
3.36
dimevamide; aminopentamide 60-46-8 C19H24N2O 296.41
3.92
profenamine; isothazine; isothiazine 522-00-9 C19H24N2S 312.48
4.77
oxitefonium bromide 17692-63-6 C19H26BrNO3S 428.39
1.31
thiazinamium methylsulfate 58-34-4 C19H26N2O4S2 410.55
4.57
bietamiverine hydrochloride 479-81-2 C19H31ClN2O2 354.92
1.40
camylofin 54-30-8 C19H32N2O2 320.48
2.94
dicycloverine; dicyclomine 77-19-0 C19H35NO2 309.49
8.13
sintropium bromide 79467-19-9 C19H36BrNO2 390.41
3.38
milverine 75437-14-8 C20H20N2 288.39
3.57
moxaverine 10539-19-2 C20H21NO2 307.39
3.09
propyromazine bromide 145-54-0 C20H23BrN2OS 419.39
4.32
metixene; methixene 4969-02-2 C20H23NS 309.47
4.25
pridinol 511-45-5 C20H25NO 295.43
3.69
thiphenamil 82-99-5 C20H25NOS 327.49
3.62
adiphenine 64-95-9 C20H25NO2 311.42
4.56
benactyzine 302-40-9 C20H25NO3 327.42
4.74
alverine 150-59-4 C20H27N 281.44
3.81
terodiline 15793-40-5 C20H27N 281.44
4.11
oxyphencyclimine 125-53-1 C20H28N2O3 344.45
2.45
trihexyphenidyl 144-11-6 C20H31NO 301.47
7.64
ganglefene 299-61-6 C20H33NO3 335.49
3.54
oxeladin 468-61-1 C20H33NO3 335.49
3.70
hexocyclium methylsulfate 115-63-9 C20H34N2O5S 414.56
1.42
rociverine 53716-44-2 C20H37NO3 339.52
9.09
cyclarbamate 5779-54-4 C21H24N2O4 368.43
3.41
piperidolate; dactil 82-98-4 C21H25NO2 323.44
4.56
piperilate; pipethanate 4546-39-8 C21H25NO3 339.43
4.70
parapenzolate bromide 5634-41-3 C21H26BrNO3 420.35
3.87
methantheline 5818-17-7 C21H26NO3 340.44
3.76
fenpipramide 77-01-0 C21H26N2O 322.45
3.79
pramiverine 14334-40-8 C21H27N 293.45
3.93
prozapine 3426-08-2 C21H27N 293.45
4.12
aprofene 3563-01-7 C21H27NO2 325.45
3.94
diphemanil methylsulfate 62-97-5 C21H27NO4S 389.51
3.43
cimetropium bromide 51598-60-8 C21H28BrNO4 438.37
2.04
acotiamide 185106-16-5 C21H30N4O5S 450.56
2.82
bornaprine 20448-86-6 C21H31NO2 329.48
6.03
tropirine 19410-02-7 C22H24N2O 332.45
3.42
pipoxolan 23744-24-3 C22H25NO3 351.45
4.54
pitofenone 54063-52-4 C22H25NO4 367.44
2.70
clidinium [chloride] 7020-55-5 C22H26ClNO3 387.91
3.72
prifinium bromide 4630-95-9 C22H28BrN 386.38
3.90
benzilonium bromide 1050-48-2 C22H28BrNO3 434.38
4.09
fenpiverinum bromide 125-60-0 C22H29BrN2O 417.40
3.87
benztropine mesylate 132-17-2 C22H29NO4S 403.54
3.48
trimebutine 39133-31-8 C22H29NO5 387.48
3.43
oxybutynin 5633-20-5 C22H31NO3 357.49
2.13
oxapium iodide 6577-41-9 C22H34INO2 471.42
2.87
secoverine 57558-44-8 C22H35NO2 345.53
7.48
trantelinium bromide 4047-34-1 C23H26BrNO3 444.37
3.50
dexetimide 21888-98-2 C23H26N2O2 362.47
3.89
leiopyrrole 5633-16-9 C23H28N2O 348.49
3.90
beperidium iodide 86434-57-3 C23H34IN3O3 527.45
2.01
flavoxate 15301-69-6 C24H25NO4 391.47
3.70
flutropium bromide 63516-07-4 C24H29BrFNO3 478.41
3.39
tropenziline bromide 143-92-0 C24H30BrNO4 476.42
3.22
propiverine; mictonorm 60569-19-9 C24H31NO2 365.52
3.93
drotaverine 14009-24-6 C24H31NO4 397.51
3.09
falipamil 77862-92-1 C24H32N2O5 428.53
2.65
denaverine 3579-62-2 C24H33NO3 383.53
4.35
tropodifene 15790-02-0 C25H29NO4 407.51
2.28
trospium chloride 10405-02-4 C25H30ClNO3 427.97
3.06
mebeverine 3625-06-7 C25H35NO5 429.56
3.64
troxypyrrolium tosilate 3612-98-4 C25H35NO8S 509.62
-0.04
fenoverine 37561-27-6 C26H25N3O3S 459.57
4.10
butropium bromide 29025-14-7 C28H38BrNO4 532.52
2.36
tiropramide 55837-29-1 C28H41N3O3 467.65
3.54
otilonium bromide 26095-59-0 C29H43BrN2O4 563.58
3.38
aclatonium napadisilate 55077-30-0 C30H44N2O14S2 720.81
-1.58
fentonium bromide 5868-06-4 C31H34BrNO4 564.52
4.31
nafiverine 5061-22-3 C34H38N2O4 538.69
3.83


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